Bioactive Compound Details

BioIDbio1623
NameSCHISANWILSONIN C
ChEMBL IDCHEMBL577253
Molecular FormulaC29H30O9
Molecular Weight522.55
Molecular Weight (Monoisotopic)522.189
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSchisanwilsonin C
SmilesCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1
InchiInChI=1S/C29H30O9/c1-15-11-17-12-20-24(37-14-36-20)23(30)21(17)22-18(13-19(33-3)25(34-4)26(22)35-5)27(29(15,2)32)38-28(31)16-9-7-6-8-10-16/h6-10,12-13,15,27,30,32H,11,14H2,1-5H3/t15-,27-,29+/m0/s1
Inchi KeyVJGNXZQPNWMFAQ-MCDTYSSMSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score1.76
Records Key['3']
Records Name['Schisanwilsonin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure